SCHEMBL555003

SCHEMBL555003

NCCOP(=O)(OCCN)OCCN

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22288214 0.97 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHR
SCHEMBL6510653 0.88 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL30902591 0.87 CYP3A4 (0.54) ALDH1A1CYP3A4TSHR
SCHEMBL29212840 0.87 TSHR (0.65) ALDH1A1CYP3A4TSHR
SCHEMBL6014558 0.87 TSHR (0.65) ALDH1A1CYP3A4TSHR
SCHEMBL28444899 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHR
SCHEMBL2773549 0.83 CYP3A4 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL5457783 0.83 CYP3A4 (0.77) CYP3A4TSHR
SCHEMBL29395 0.81 CYP3A4 (0.55) ALDH1A1CYP3A4TSHR
SCHEMBL21574523 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060398-A Intrinsic flame-retardant polypropylene foam material and preparation method thereof 浙江新恒泰新材料股份有限公司 2024-12-03 CN claimed
CN-118678856-A Hole transport material, application thereof, solar cell and preparation method thereof 天合光能股份有限公司 2024-09-20 CN claimed
CN-112229936-B Method for simultaneously detecting 33 plastic additives in food contact material 南京市产品质量监督检验院 2021-03-19 CN claimed
CN-112229936-A Method for simultaneously detecting 33 plastic additives in food contact material 南京市产品质量监督检验院 2021-01-15 CN claimed
CN-111721857-A Method for identifying litchi varieties by using extensive targeted metabonomics technology 广东省农业科学院果树研究所 2020-09-29 CN claimed
EP-3474953-A1 SUBSTANCE MIXTURE CONTAINING GLYCOSAMINOGLYCAN, METHOD FOR PRODUCING SAME AND USE OF SAME Fach, Dr. Christian (DE) 2019-05-01 EP claimed
US-20090246224-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2009-10-01 US claimed
US-7537766-B2 Neisseria meningitidis inner core lipo-oligosaccharide epitopes, multivalent conjugates thereof and immunogenic compositions thereof WYETH (US) 2009-05-26 US claimed
US-20090123499-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2009-05-14 US claimed
US-20060047106-A1 Neisseria meningitdis inner core lipo-oligosaccharide epitopes, multivalent conjugates thereof and immunogenic compositions thereof WYETH (US) 2006-03-02 US claimed
US-4536530-A CONTAINING ORGANOPHOSPHORUS COMPOUNDS NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-08-20 US claimed
US-4027012-A CHROMATOGRAPHY LABORATORI BIOCHIMICI FARGAL-PHARMASINT S.P.A. (IT) 1977-05-31 US claimed
CN-119060398-A Intrinsic flame-retardant polypropylene foam material and preparation method thereof 浙江新恒泰新材料股份有限公司 2024-12-03 CN disclosed
CN-118678856-A Hole transport material, application thereof, solar cell and preparation method thereof 天合光能股份有限公司 2024-09-20 CN disclosed
CN-117136076-A MCL-1 inhibitor antibody drug conjugates and methods of use 诺华股份有限公司 2023-11-28 CN disclosed
CN-111569932-B Composite material and preparation method, photocatalyst and application thereof 吉林大学 2023-04-11 CN disclosed
EP-0302473-A2 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells Bristol-Myers Squibb Company (US) 1989-02-08 EP disclosed
US-4778898-A CROSSLINKED, HEAT RESISTANT POLYMERS; ADHESIVES, INSULATION, PLASTICS CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
EP-0220137-A2 Trisimides of allyl- or methallyl-substituted bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic-acid imides, and their use CIBA-GEIGY AG (CH) 1987-04-29 EP disclosed
EP-0040039-B1 ETHYLENE GLYCOL DERIVATIVES OF AMMONIOETHYL PHOSPHATE, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-08-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090123499-A1 VACCINE MLEC, CHMP4B, STT3B ALDH1A1 4816/4885CYP3A4 4137/4885TSHR 4437/4885
US-20090246224-A1 VACCINE MLEC, CHMP4B, STT3B ALDH1A1 4816/4885CYP3A4 4137/4885TSHR 4437/4885
US-20060047106-A1 Neisseria meningitdis inner core lipo-oligosaccharide epitopes, multivalent conjugates thereof and immunogenic compositions thereof CD14, MAGT1, STT3B ALDH1A1 4081/4885CYP3A4 4691/4885TSHR 4644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.